Geometry & MOs

Info

ID:	144837
PubChem CID:	53422442
Reduced:	NOC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	198.124252
ΔH_f, kcal/mol:	-0.11
Dipole, Da:	3.36
IP(EA), eV:	-7.97(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(5-tert-butyl-1,3-oxazol-3-ium-3-yl)-3-methylurea

Drug info:

PubChemData

Smile

CCN1C=CN=C1C2=C3C=C(C=CC3=CO2)OC

DOS

IR

Vibrations